CID 121360

Trans-4-methyl-1,2,3,4,4a,5,6,10b-octahydrobenzo(f)quinoline

Structural Information

Molecular Formula
C14H19N
SMILES
CN1CCC[C@@H]2[C@@H]1CCC3=CC=CC=C23
InChI
InChI=1S/C14H19N/c1-15-10-4-7-13-12-6-3-2-5-11(12)8-9-14(13)15/h2-3,5-6,13-14H,4,7-10H2,1H3/t13-,14-/m0/s1
InChIKey
CAIZFPWDMVYDRN-KBPBESRZSA-N
Compound name
(4aS,10bS)-4-methyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

201.15175 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.15903 145.5
[M+Na]+ 224.14097 151.2
[M-H]- 200.14447 148.2
[M+NH4]+ 219.18557 165.2
[M+K]+ 240.11491 147.0
[M+H-H2O]+ 184.14901 137.8
[M+HCOO]- 246.14995 160.9
[M+CH3COO]- 260.16560 156.7
[M+Na-2H]- 222.12642 151.7
[M]+ 201.15120 139.9
[M]- 201.15230 139.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe